CAS
97889-91-3 Purity
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97889-91-3 Purity
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Specification
The molecular formula is C13H24O2.
The structure was created on 2005-08-08 and modified on 2023-12-30.
The IUPAC name is 3,7-dimethyloct-6-en-2-yl propanoate.
The InChI is InChI=1S/C13H24O2/c1-6-13(14)15-12(5)11(4)9-7-8-10(2)3/h8,11-12H,6-7,9H2,1-5H3.
The InChIKey is PVOXDQPDUIZDLB-UHFFFAOYSA-N.
There are 7 rotatable bonds.
The exact mass is 212.177630004 g/mol.
There are 2 hydrogen bond acceptors.
Yes, it is a canonicalized compound.
There are 0 defined atom stereocenters.